propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate

C25H31N3O4 — CID 91350018

IUPACpropan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(NOC)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H31N3O4/c1-5-31-20-13-14-21-22(15-20)28(19-7-6-8-19)24(23(21)27-30-4)17-9-11-18(12-10-17)26-25(29)32-16(2)3/h9-16,19,27H,5-8H2,1-4H3,(H,26,29)
InChIKeyOLPWGKYNULKNIS-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.36
Rot. Bonds8

About propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate (PubChem CID 91350018) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
PubChem CID91350018
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Namepropan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(NOC)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H31N3O4/c1-5-31-20-13-14-21-22(15-20)28(19-7-6-8-19)24(23(21)27-30-4)17-9-11-18(12-10-17)26-25(29)32-16(2)3/h9-16,19,27H,5-8H2,1-4H3,(H,26,29)
InChIKeyOLPWGKYNULKNIS-UHFFFAOYSA-N
XLogP6.36
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-ethylindol-2-yl)phenyl]carbamate
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1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-fluoroindol-2-yl)phenyl]carbamate
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propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-4-yl)indol-2-yl]phenyl]carbamate
CID 46946038
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
CID 46946039
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]carbamate
CID 70798065
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
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propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
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propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 70844642
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,2-oxazol-5-yl)indol-2-yl]phenyl]carbamate
CID 59430557
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrrol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 70798049
propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 71176789

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate (CID 91350018) is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(NOC)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate?
The InChIKey is OLPWGKYNULKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-31-20-13-14-21-22(15-20)28(19-7-6-8-19)24(23(21)27-30-4)17-9-11-18(12-10-17)26-25(29)32-16(2)3/h9-16,19,27H,5-8H2,1-4H3,(H,26,29).
What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate has a molecular weight of 437.54 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(methoxyamino)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 91350018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).